2-prop-1-en-2-yl-1,3-oxazinane

C7H13NO — CID 70473776

IUPAC2-prop-1-en-2-yl-1,3-oxazinane
SMILESC=C(C)C1NCCCO1
InChIInChI=1S/C7H13NO/c1-6(2)7-8-4-3-5-9-7/h7-8H,1,3-5H2,2H3
InChIKeyDCDAMEMCMLJVBU-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds1

About 2-prop-1-en-2-yl-1,3-oxazinane

2-prop-1-en-2-yl-1,3-oxazinane (PubChem CID 70473776) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-1,3-oxazinane.

Molecular Properties

Compound Name2-prop-1-en-2-yl-1,3-oxazinane
PubChem CID70473776
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-prop-1-en-2-yl-1,3-oxazinane
SMILESC=C(C)C1NCCCO1
InChIInChI=1S/C7H13NO/c1-6(2)7-8-4-3-5-9-7/h7-8H,1,3-5H2,2H3
InChIKeyDCDAMEMCMLJVBU-UHFFFAOYSA-N
XLogP0.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-prop-1-en-2-yl-1,3-oxazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-1,3-oxazinane?
The IUPAC name of 2-prop-1-en-2-yl-1,3-oxazinane (CID 70473776) is 2-prop-1-en-2-yl-1,3-oxazinane.
What is the SMILES notation for 2-prop-1-en-2-yl-1,3-oxazinane?
The canonical SMILES for 2-prop-1-en-2-yl-1,3-oxazinane is C=C(C)C1NCCCO1.
What is the InChIKey of 2-prop-1-en-2-yl-1,3-oxazinane?
The InChIKey is DCDAMEMCMLJVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)7-8-4-3-5-9-7/h7-8H,1,3-5H2,2H3.
What are the key properties of 2-prop-1-en-2-yl-1,3-oxazinane?
2-prop-1-en-2-yl-1,3-oxazinane has a molecular weight of 127.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-1,3-oxazinane is sourced from PubChem (CID 70473776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).